CID 3654230

80531-15-3

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1OC2=C(O1)C=C(C=C2)C(=N)N
InChI
InChI=1S/C8H8N2O2/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H3,9,10)
InChIKey
RZFQQMHSZJBVAP-UHFFFAOYSA-N
Compound name
1,3-benzodioxole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

164.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 131.9
[M+Na]+ 187.04780 139.4
[M-H]- 163.05130 137.5
[M+NH4]+ 182.09240 151.8
[M+K]+ 203.02174 139.4
[M+H-H2O]+ 147.05584 126.4
[M+HCOO]- 209.05678 155.1
[M+CH3COO]- 223.07243 180.6
[M+Na-2H]- 185.03325 139.8
[M]+ 164.05803 130.3
[M]- 164.05913 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe